Jionoside B1

CAS Registry Number®

120406-37-3

CAS Name

Jionoside B1

Molecular Formula

C37H50O20

Molecular Mass

814.78

Cite this Page

Jionoside B1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120406-37-3 (retrieved 2024-11-22) (CAS RN: 120406-37-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1

InChIKey

InChIKey=FXFHFOSEURHWMO-AQHLZYGVSA-N

SMILES

O(C(/C=C/C1=CC(OC)=C(O)C=C1)=O)[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](OCCC4=CC(O)=C(OC)C=C4)O[C@@H]2CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OC(CO)C(O)C(O)C4O)C=CC5=CC=C(O)C(OC)=C5

Other Names for this Substance

  • β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→6)]-, 4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
  • β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→6)]-, 4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-
  • Jionoside B1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration